Chemical Patterns of Proteasome Inhibitors: Lessons Learned from Two Decades of Drug Design

• Published in: International journal of molecular sciences Vol. 20; no. 21; p. 5326
• Main Authors: Guedes, Romina A., Aniceto, Natália, Andrade, Marina A. P., Salvador, Jorge A. R., Guedes, Rita C.
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 25.10.2019; MDPI
• Subjects: Amino acids; Apoptosis; Cancer; Cell cycle; Clinical trials; Computational Biology; Datasets; Drug Design; Drug Discovery; Humans; Hydrogen bonds; Models, Chemical; Peptides; Pharmaceutical sciences; Proteasome Inhibitors - chemistry; Small Molecule Libraries - chemistry; Software; United States > US; molecular descriptors; proteasome; decision tree; proteasome inhibitors; chemical space; structure-activity relationship; fingerprints

Drug discovery now faces a new challenge, where the availability of experimental data is no longer the limiting step, and instead, making sense of the data has gained a new level of importance, propelled by the extensive incorporation of cheminformatics and bioinformatics methodologies into the drug...